SCHEMBL2599329

SCHEMBL2599329

C=C(C(=O)O)C1CN(Cc2ccccc2)CC1c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
SIGMAR1 Q99720 2/20 0.49
RORC P51449 1/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
CHRM4 P08173 1/20 0.46
FAAH O00519 1/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GPR39 O43194 1/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL852326 0.90 DRD2 (0.54) DRD2DRD3SIGMAR1RORCHTT
SCHEMBL1804308 0.88 F10 (0.53) DRD2DRD3SIGMAR1HTTLMNA
SCHEMBL1804309 0.88 F10 (0.53) DRD2DRD3SIGMAR1HTTLMNA
SCHEMBL2598185 0.88 F10 (0.53) DRD2DRD3SIGMAR1HTTLMNA
SCHEMBL1805972 0.80 DRD2 (0.50) DRD2DRD3SIGMAR1HTTLMNA
SCHEMBL2599237 0.80 SIGMAR1 (0.48) DRD2DRD3SIGMAR1RORCHTT
SCHEMBL1805976 0.80 DRD2 (0.50) DRD2DRD3SIGMAR1HTTLMNA
SCHEMBL1805980 0.80 DRD2 (0.50) DRD2DRD3SIGMAR1HTTLMNA
SCHEMBL2599239 0.80 DRD2 (0.50) DRD2DRD3SIGMAR1HTTLMNA
SCHEMBL1804581 0.79 SIGMAR1 (0.47) DRD2DRD3SIGMAR1HTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed